Dear all, I would like to calculate surface tension/pressure of my monolayer simulation. I have two monolayers of lipid each side of a water box. So four interfaces; vaccum/lipid, lipid/water, water/lipid and lipid/vaccum. I used NVT simulation. Is there a way to calculate surface tension/pressure of lipid/water in my system using GROMACS tools?
I used: gmx energy to get #Surf*SurfTens. What does this do? Is it possible to calculate the surface tension of my monolayers using the formula: [image: Inline images 1] I can get Pzz, Pxx and Pyy for my system from gmx_energy. Is Lz the box size in Z direction, i.e normal to my monolayer in nanometers? If I solve this equation does the value mean the average surface tension of my monolayers? Thanks, Merril.
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